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2-(o-tolylthio)-2-phenyl-pent-4-enoic acid methyl ester
SpectraBase Compound ID 41mW2H1kLMP
InChI InChI=1S/C19H20O2S/c1-4-14-19(18(20)21-3,16-11-6-5-7-12-16)22-17-13-9-8-10-15(17)2/h4-13H,1,14H2,2-3H3
InChIKey VVBJHCJZMOTKIW-UHFFFAOYSA-N
Mol Weight 312.43 g/mol
Molecular Formula C19H20O2S
Exact Mass 312.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyDvqO5tiHc
Name 2-(o-tolylthio)-2-phenyl-pent-4-enoic acid methyl ester
Alternate Name(s) 2-[(2-methylphenyl)thio]-2-phenyl-4-pentenoic acid methyl ester Methyl 2-(2-methylphenyl)sulfanyl-2-phenyl-pent-4-enoate Methyl 2-(o-tolylsulfanyl)-2-phenyl-pent-4-enoate
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Formula C19H20O2S
InChI InChI=1S/C19H20O2S/c1-4-14-19(18(20)21-3,16-11-6-5-7-12-16)22-17-13-9-8-10-15(17)2/h4-13H,1,14H2,2-3H3
InChIKey VVBJHCJZMOTKIW-UHFFFAOYSA-N
Molecular Weight 312.427 g/mol
SMILES C(Sc1c(C)cccc1)(C(=O)OC)(c1ccccc1)CC=C
SPLASH splash10-00fr-4900000000-917b698f94a360a2878c
Source of Spectrum J-67-5624-3
Wiley ID 1570602